BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3424
NameThebaine hydrochloride monohydrate
Pubchem ID5492887
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight365.85
Exact mass365.139386
Molecular formulaC19H24ClNO4
XlogPN/A
Topological Polar Surface Area31.9
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC.O.Cl
Isomeric SMILECN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.O.Cl
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